SCHEMBL14816253

SCHEMBL14816253

CCOC(=O)CCc1ccc2c(cnn2C2CCCCO2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.58
▸ RXRB P28702 1/20 0.58
▸ RXRG P48443 1/20 0.58
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ P2RY12 Q9H244 1/20 0.42
▸ MGLL Q99685 1/20 0.41
▸ CYP4F2 P78329 3/20 0.40
▸ CYP4A11 Q02928 3/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ SYK P43405 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ FDFT1 P37268 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14815898 0.83 RXRA (0.61) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL14553593 0.82 RXRA (0.65) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL10231494 0.82 RXRA (0.64) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL16596005 0.80 RXRA (0.55) RXRARXRBRXRGP2RY12CYP4F2
SCHEMBL14553594 0.80 RXRA (0.62) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL10231475 0.80 RXRA (0.62) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29433054 0.80 RXRA (0.67) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL10231496 0.80 RXRA (0.67) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL14827612 0.80 RXRA (0.52) RXRARXRBRXRGP2RY12MGLL
SCHEMBL785313 0.79 RXRA (0.61) RXRARXRBRXRGCYP4F2CYP4A11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760856-B1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-09-14 — — EP disclosed
EP-2760856-B1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-09-14 — — EP disclosed
EP-2760856-A1 SELECTIVE NR2B ANTAGONISTS Bristol-Myers Squibb Company (US) 2014-08-06 — — EP disclosed
US-8722670-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 — — US disclosed
US-8722670-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 — — US disclosed
US-8722670-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 — — US disclosed
WO-2013049119-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — WO disclosed
WO-2013049119-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — WO disclosed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — US disclosed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — US disclosed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130085138-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A RXRA 1503/4885RXRB 1119/4885RXRG 1000/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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